Compounds

Type:
Unknown

AlogP:
1.98

Polar Surface Area:
90.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4649838

Name:
2-Oxo-2-((4-((4-(trifluoromethoxy)phenyl)ethynyl)phenyl)-amino)acetic Acid

Mol. Formula:
C17H10F3NO4

M.W.:
349.26

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4649291

Name:
2-((4-((3,5-Bis(trifluoromethyl)phenyl)ethynyl)phenyl)-amino)-2-oxoacetic AShow More⌵

Mol. Formula:
C18H9F6NO3

M.W.:
401.26

6 activity values

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4649133

Name:
2-((4-Ethynylphenyl)amino)-2-oxoacetic Acid

Mol. Formula:
C10H7NO3

M.W.:
189.17

Type:
Unknown

AlogP:
0.69

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4649112

Name:
2-((4-((2,4-Bis(trifluoromethyl)phenyl)ethynyl)phenyl)-amino)-2-oxoacetic AShow More⌵

Mol. Formula:
C18H9F6NO3

M.W.:
401.26

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4649071

Name:
2-((4-((4-Hydroxyphenyl)ethynyl)phenyl)amino)-2-oxoacetic Acid

Mol. Formula:
C16H11NO4

M.W.:
281.27

Type:
Unknown

AlogP:
1.82

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4649025

Name:
2-Oxo-2-((3-(phenylethynyl)phenyl)amino)acetic Acid

Mol. Formula:
C16H11NO3

M.W.:
265.27

Type:
Unknown

AlogP:
2.11

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4647989

Name:
2-Oxo-2-((4-(4-(trifluoromethyl)phenethyl)phenyl)amino)-acetic Acid

Mol. Formula:
C17H14F3NO3

M.W.:
337.30

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4647377

Name:
2-Oxo-2-((4-((3-(trifluoromethyl)phenyl)ethynyl)phenyl)-amino)acetic Acid

Mol. Formula:
C17H10F3NO3

M.W.:
333.27

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4647367

Name:
2-((4-((2-Chloro-4-(trifluoromethyl)phenyl)ethynyl)phenyl)-amino)-2-oxoacetShow More⌵

Mol. Formula:
C17H9ClF3NO3

M.W.:
367.71

95 activity values

33 unique targets

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4647032

Name:
2-((4-((4-Hydroxy-3-(methoxycarbonyl)phenyl)ethynyl)-phenyl)amino)-2-oxoaceShow More⌵

Mol. Formula:
C18H13NO6

M.W.:
339.30

7 activity values

6 unique targets

Type:
Unknown

AlogP:
1.60

Polar Surface Area:
112.93

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4646506

Name:
2-((4-((4-((tert-Butoxycarbonyl)amino)phenyl)ethynyl)-phenyl)amino)-2-oxoacShow More⌵

Mol. Formula:
C21H20N2O5

M.W.:
380.40

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4645770

Name:
2-((4-((4-(tert-Butyl)phenyl)ethynyl)phenyl)amino)-2-oxoacetic Acid

Mol. Formula:
C20H19NO3

M.W.:
321.38

7 activity values

6 unique targets

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4644874

Name:
2-((4-((3-Bromo-4-hydroxyphenyl)ethynyl)phenyl)amino)-2-oxoacetic Acid

Mol. Formula:
C16H10BrNO4

M.W.:
360.16

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4642395

Name:
2-([1,1'-Biphenyl]-4-ylamino)-2-oxoacetic Acid

Mol. Formula:
C14H11NO3

M.W.:
241.25

Type:
Unknown

AlogP:
2.38

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4642274

Name:
2-Oxo-2-((4-((4-sulfamoylphenyl)ethynyl)phenyl)amino)-acetic Acid

Mol. Formula:
C16H12N2O5S

M.W.:
344.35

Type:
Unknown

AlogP:
0.76

Polar Surface Area:
126.56

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4641525

Name:
(Z)-2-Oxo-2-((4-styrylphenyl)amino)acetic Acid

Mol. Formula:
C16H13NO3

M.W.:
267.28

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4641106

Name:
2-((4-((2-Cyano-4-(trifluoromethyl)phenyl)ethynyl)phenyl)-amino)-2-oxoacetiShow More⌵

Mol. Formula:
C18H9F3N2O3

M.W.:
358.28

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
90.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4640123

Name:
2-((3-((2-(Dimethylamino)-4-hydroxy-5-(methoxycarbonyl)-phenyl)ethynyl)phenShow More⌵

Mol. Formula:
C20H18N2O6

M.W.:
382.37

Type:
Unknown

AlogP:
1.67

Polar Surface Area:
116.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4638797

Name:
2-([1,1'-Biphenyl]-3-ylamino)-2-oxoacetic Acid

Mol. Formula:
C14H11NO3

M.W.:
241.25